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Compound Detail

CHEMBL4555872

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Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOc2ccc3c(c2)sc2nc(-c4ccc(NC(=O)Nc5cc(C(C)(C)C)on5)cc4)cn23)C(C)(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4555872
Phase Preclinical
Structure Type MOL
InChI Key IKJBYQODYFQASC-YKCITUTQSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

1020.2
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C52H61N9O9S2
MW 1020.25

Activity Summary

IC50 2 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MOLM-14
CHEMBL3706570
 IC50 9.22 9.22 0.6 1
MV4-11
CHEMBL613835
 IC50 9.22 9.22 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MV4-11 IC50 = 0.6 nM 9.22 Antiproliferative activity against human MV4-11 cells 34656901
MOLM-14 IC50 = 0.6 nM 9.22 Antiproliferative activity against human MOLM-14 cells 34656901

Literature References

PubMed DOI Target Context # Activities
31047748 10.1016/j.bmcl.2019.04.030 von Hippel-Lindau disease tumor suppressor/FLT3 2
37224698 10.1016/j.bmc.2023.117334 von Hippel-Lindau disease tumor suppressor/FLT3 2
34656901 10.1016/j.ejmech.2021.113906 MV4-11 1
34656901 10.1016/j.ejmech.2021.113906 MOLM-14 1

Data from ChEMBL 36 via Core Engine